ethyl 7-azanyl-3-[(E)-3-azanyl-1-(4-carbamimidoylphenyl)prop-2-enyl]-4,7-bis(oxidanylidene)heptanoate

Systemtic Name: ethyl 7-azanyl-3-[(E)-3-azanyl-1-(4-carbamimidoylphenyl)prop-2-enyl]-4,7-bis(oxidanylidene)heptanoate Openeye Name: ethyl 7-amino-3-[(E)-3-amino-1-(4-carbamimidoylphenyl)allyl]-4,7-dioxo-heptanoate CAS Name: 7-amino-3-[(E)-3-amino-1-(4-carbamimidoylphenyl)prop-2-enyl]-4,7-dioxoheptanoic acid ethyl ester IUPAC Name: ethyl 7-amino-3-[(E)-3-amino-1-(4-carbamimidoylphenyl)prop-2-enyl]-4,7-dioxoheptanoate Traditional Name: (E)-4-(4-amidinophenyl)-6-amino-3-(4-amino-4-keto-butanoyl)hex-5-enoic acid ethyl ester Formula: C19H26N4O4 MolecularWeight: 374.43414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C=CN)C1=CC=C(C=C1)C(=N)N)C(=O)CCC(=O)N

Isomeric SMILES

CCOC(=O)CC(C(/C=C/N)C1=CC=C(C=C1)C(=N)N)C(=O)CCC(=O)N

InChI

InChI=1S/C19H26N4O4/c1-2-27-18(26)11-15(16(24)7-8-17(21)25)14(9-10-20)12-3-5-13(6-4-12)19(22)23/h3-6,9-10,14-15H,2,7-8,11,20H2,1H3,(H2,21,25)(H3,22,23)/b10-9+